Arthur Roberts wrote:
time hydrophobic-SAS hydrophilic-SAS total-SAS hydration-free-enthalpy
is for:
"g_sas -s mdrun.tpr -f mdrun.trr -o mdrun.xvg"
not
"g_sas -s mdrun.tpr -f mdrun.trr -or mdrun.xvg"
There are only two lines in the xmgrace file. One is black. It is the
larger number and the other is red.
It is much appreciated.
Your question is a bit terse...
the -or option plots the average + std. dev. area per residue, the -o as
a function of time for everything
--
David.
________________________________________________________________________
David van der Spoel, PhD, Assoc. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596, 75124 Uppsala, Sweden
phone: 46 18 471 4205 fax: 46 18 511 755
[EMAIL PROTECTED] [EMAIL PROTECTED] http://folding.bmc.uu.se
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